Achieving Predictive Description of Molecular Conductance by Using a Range-Separated Hybrid Functional-Reference-Cited by-同舟云学术

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Achieving Predictive Description of Molecular Conductance by Using a Range-Separated Hybrid Functional

Published:2016-09-16 Issue:10 Volume:16 Page:6092-6098
ISSN:1530-6984
Container-title:Nano Letters
language:en
Short-container-title:Nano Lett.

Author:

Yamada Atsushi¹,Feng Qingguo¹,Hoskins Austin¹,Fenk Kevin D.¹,Dunietz Barry D.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Kent State University, Kent, Ohio 44242, United States

Funder

Division of Chemistry

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Mechanical Engineering,Condensed Matter Physics,General Materials Science,General Chemistry,Bioengineering

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.nanolett.6b02241

Reference81 articles.

1. Electron Transport in Molecular Wire Junctions

2. A brief history of molecular electronics

3. Single-Molecule Electronics: Chemical and Analytical Perspectives

4. Single-molecule junctions beyond electronic transport

5. First-Principles Calculation of Transport Properties of a Molecular Device

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3. Exploring a Linear Combination Feature for Predicting the Conductance of Parallel Molecular Circuits;Nano Letters;2023-10-12

4. Anti-ohmic nanoconductors: myth, reality and promise;Physical Chemistry Chemical Physics;2023

5. Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes;Journal of Physics: Condensed Matter;2022-08-26

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